(NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine

C10H15N3OS — CID 60639595

IUPAC(NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
SMILESCc1nc(N2CCCCC2)sc1/C=N/O
InChIInChI=1S/C10H15N3OS/c1-8-9(7-11-14)15-10(12-8)13-5-3-2-4-6-13/h7,14H,2-6H2,1H3/b11-7+
InChIKeyGBCQKDGMZOJECU-YRNVUSSQSA-N
MW225.32 g/mol
LogP2.25
Rot. Bonds2

About (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine (PubChem CID 60639595) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
PubChem CID60639595
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
SMILESCc1nc(N2CCCCC2)sc1/C=N/O
InChIInChI=1S/C10H15N3OS/c1-8-9(7-11-14)15-10(12-8)13-5-3-2-4-6-13/h7,14H,2-6H2,1H3/b11-7+
InChIKeyGBCQKDGMZOJECU-YRNVUSSQSA-N
XLogP2.25
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine (CID 60639595) is (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine is Cc1nc(N2CCCCC2)sc1/C=N/O.
What is the InChIKey of (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
The InChIKey is GBCQKDGMZOJECU-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-9(7-11-14)15-10(12-8)13-5-3-2-4-6-13/h7,14H,2-6H2,1H3/b11-7+.
What are the key properties of (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine has a molecular weight of 225.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 60639595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).